6QY6

Crystal structure of the CCA-adding enzyme of a psychrophilic organism

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	70.031, 70.031, 291.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.926 - 1.800
R-factor	0.2083
Rwork	0.207
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1miv
RMSD bond length	0.007
RMSD bond angle	0.794
Data reduction software	XDS (20160617)
Data scaling software	XSCALE (20160617)
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.910
High resolution limit [Å]	1.800	1.800
Rmeas	0.074	2.648
Number of reflections	68555	10787
<I/σ(I)>	19.5	0.66
Completeness [%]	99.9	99.3
Redundancy	13	12.9
CC(1/2)	1.000	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	protein solution at 4.5 mg/mL in 50 mM Tris-HCl pH7.5, 200 mM NaCl, 5 mM MgCl2; reservoir solution: 100 mM Sodium acetate; pH 4.5 1 M di-Ammonium hydrogen phosphate